1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide

C192H168Cl12F2N18O9S3 — CID 172929029

About 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide

1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide (PubChem CID 172929029) has the molecular formula C192H168Cl12F2N18O9S3 and a molecular weight of 3431.21 g/mol. Its IUPAC name is 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide
• PubChem CID: 172929029
• Molecular Formula: C192H168Cl12F2N18O9S3
• Molecular Weight: 3431.21 g/mol
• Exact Mass: 3422.86
• IUPAC Name: 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide
• SMILES: Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1C(N)=O.Cc1cc2ccncc2cc1CN.Cc1cc2ccncc2cc1Cl.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1CN.Cc1ccc2cc(Cl)ccc2c1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C
• InChI: InChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H9N.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H10N2O.2C11H12N2.C11H11NO2S.C10H8ClN.C10H8FN/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-4-8-2-3-13-6-9(8)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;1-8-4-9-2-3-13-7-11(9)5-10(8)6-12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;2*1-7-4-8-2-3-12-6-9(8)5-10(7)11/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2-6H,1H3,(H2,12,14);2*2-5,7H,6,12H2,1H3;2-7H,1H3,(H2,12,13,14);2*2-6H,1H3
• InChIKey: SBPDPVXWXIGQSO-UHFFFAOYSA-N
• XLogP: 50.01
• TPSA: 539.21 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3431.21
LogP ≤ 5	50.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide?

The IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide (CID 172929029) is 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide.

What is the SMILES notation for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide?

The canonical SMILES for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide is Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1C(N)=O.Cc1cc2ccncc2cc1CN.Cc1cc2ccncc2cc1Cl.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1CN.Cc1ccc2cc(Cl)ccc2c1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.

What is the InChIKey of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide?

The InChIKey is SBPDPVXWXIGQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H9N.C11H8Cl2.C11H8ClF.C11H10ClNO2S.C11H9Cl.C11H10N2O.2C11H12N2.C11H11NO2S.C10H8ClN.C10H8FN/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-4-8-2-3-13-6-9(8)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;1-8-4-9-2-3-13-7-11(9)5-10(8)6-12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;2*1-7-4-8-2-3-12-6-9(8)5-10(7)11/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3;2*2-6H,1H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2-6H,1H3,(H2,12,14);2*2-5,7H,6,12H2,1H3;2-7H,1H3,(H2,12,13,14);2*2-6H,1H3.

What are the key properties of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide?

1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide has a molecular weight of 3431.21 g/mol, XLogP of 50.01, 10 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 172929029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).